(4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide

C13H17F2NO — CID 156730180

IUPAC(4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide
SMILESC=C/C=C(/C)C(=C)CC(=O)NC1CC(F)(F)C1
InChIInChI=1S/C13H17F2NO/c1-4-5-9(2)10(3)6-12(17)16-11-7-13(14,15)8-11/h4-5,11H,1,3,6-8H2,2H3,(H,16,17)/b9-5-
InChIKeyHBGPGXRJONLZID-UITAMQMPSA-N
MW241.28 g/mol
LogP2.98
Rot. Bonds5

About (4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide

(4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide (PubChem CID 156730180) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is (4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide
PubChem CID156730180
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name(4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide
SMILESC=C/C=C(/C)C(=C)CC(=O)NC1CC(F)(F)C1
InChIInChI=1S/C13H17F2NO/c1-4-5-9(2)10(3)6-12(17)16-11-7-13(14,15)8-11/h4-5,11H,1,3,6-8H2,2H3,(H,16,17)/b9-5-
InChIKeyHBGPGXRJONLZID-UITAMQMPSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide
CID 172877856
N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
CID 70261540
5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 70892604
5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide
CID 89153913
5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide
CID 89214736
(4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide
CID 130374426
N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 135220345
ethane;N-[(2S,3E,4Z)-3-ethylidene-6-methylhepta-4,6-dien-2-yl]-2,2,2-trifluoroacetamide
CID 142861213
2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane
CID 143897088
N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide
CID 144605400
ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide
CID 144753386
(Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide
CID 145077821

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide?
The IUPAC name of (4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide (CID 156730180) is (4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide.
What is the SMILES notation for (4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide?
The canonical SMILES for (4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide is C=C/C=C(/C)C(=C)CC(=O)NC1CC(F)(F)C1.
What is the InChIKey of (4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide?
The InChIKey is HBGPGXRJONLZID-UITAMQMPSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-4-5-9(2)10(3)6-12(17)16-11-7-13(14,15)8-11/h4-5,11H,1,3,6-8H2,2H3,(H,16,17)/b9-5-.
What are the key properties of (4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide?
(4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide has a molecular weight of 241.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide is sourced from PubChem (CID 156730180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).